N-[[2-fluoro-4-(methylaminomethyl)phenyl]methyl]-N-methyl-2-naphthalen-1-ylethanamine

C22H25FN2 — CID 167275706

IUPACN-[[2-fluoro-4-(methylaminomethyl)phenyl]methyl]-N-methyl-2-naphthalen-1-ylethanamine
SMILESCNCc1ccc(CN(C)CCc2cccc3ccccc23)c(F)c1
InChIInChI=1S/C22H25FN2/c1-24-15-17-10-11-20(22(23)14-17)16-25(2)13-12-19-8-5-7-18-6-3-4-9-21(18)19/h3-11,14,24H,12-13,15-16H2,1-2H3
InChIKeyUCVWVMMTUHVVBC-UHFFFAOYSA-N
MW336.45 g/mol
LogP4.37
Rot. Bonds7

About N-[[2-fluoro-4-(methylaminomethyl)phenyl]methyl]-N-methyl-2-naphthalen-1-ylethanamine

N-[[2-fluoro-4-(methylaminomethyl)phenyl]methyl]-N-methyl-2-naphthalen-1-ylethanamine (PubChem CID 167275706) has the molecular formula C22H25FN2 and a molecular weight of 336.45 g/mol. Its IUPAC name is N-[[2-fluoro-4-(methylaminomethyl)phenyl]methyl]-N-methyl-2-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(methylaminomethyl)phenyl]methyl]-N-methyl-2-naphthalen-1-ylethanamine
PubChem CID167275706
Molecular FormulaC22H25FN2
Molecular Weight336.45 g/mol
Exact Mass336.20
IUPAC NameN-[[2-fluoro-4-(methylaminomethyl)phenyl]methyl]-N-methyl-2-naphthalen-1-ylethanamine
SMILESCNCc1ccc(CN(C)CCc2cccc3ccccc23)c(F)c1
InChIInChI=1S/C22H25FN2/c1-24-15-17-10-11-20(22(23)14-17)16-25(2)13-12-19-8-5-7-18-6-3-4-9-21(18)19/h3-11,14,24H,12-13,15-16H2,1-2H3
InChIKeyUCVWVMMTUHVVBC-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(methylaminomethyl)phenyl]methyl]-N-(2-naphthalen-1-ylethyl)acetamide
CID 167275079
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 107454398
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylpentan-1-amine
CID 107454220
N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
1-[3-bromo-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N-methylmethanamine
CID 102771609
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylpent-4-en-1-amine
CID 107455677
2-methyl-4-[methyl(naphthalen-1-ylmethyl)amino]butan-2-ol
CID 75423705
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine
CID 43270934
N-ethyl-2-(3-fluoronaphthalen-1-yl)-N-methylethanamine
CID 177057266
2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline
CID 107454661
2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine
CID 129196216

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(methylaminomethyl)phenyl]methyl]-N-methyl-2-naphthalen-1-ylethanamine?
The IUPAC name of N-[[2-fluoro-4-(methylaminomethyl)phenyl]methyl]-N-methyl-2-naphthalen-1-ylethanamine (CID 167275706) is N-[[2-fluoro-4-(methylaminomethyl)phenyl]methyl]-N-methyl-2-naphthalen-1-ylethanamine.
What is the SMILES notation for N-[[2-fluoro-4-(methylaminomethyl)phenyl]methyl]-N-methyl-2-naphthalen-1-ylethanamine?
The canonical SMILES for N-[[2-fluoro-4-(methylaminomethyl)phenyl]methyl]-N-methyl-2-naphthalen-1-ylethanamine is CNCc1ccc(CN(C)CCc2cccc3ccccc23)c(F)c1.
What is the InChIKey of N-[[2-fluoro-4-(methylaminomethyl)phenyl]methyl]-N-methyl-2-naphthalen-1-ylethanamine?
The InChIKey is UCVWVMMTUHVVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2/c1-24-15-17-10-11-20(22(23)14-17)16-25(2)13-12-19-8-5-7-18-6-3-4-9-21(18)19/h3-11,14,24H,12-13,15-16H2,1-2H3.
What are the key properties of N-[[2-fluoro-4-(methylaminomethyl)phenyl]methyl]-N-methyl-2-naphthalen-1-ylethanamine?
N-[[2-fluoro-4-(methylaminomethyl)phenyl]methyl]-N-methyl-2-naphthalen-1-ylethanamine has a molecular weight of 336.45 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(methylaminomethyl)phenyl]methyl]-N-methyl-2-naphthalen-1-ylethanamine is sourced from PubChem (CID 167275706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).